CID 66962

2-pyrazoline

Structural Information

Molecular Formula
C3H6N2
SMILES
C1CNN=C1
InChI
InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2
InChIKey
MCGBIXXDQFWVDW-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

147117
Patents

70.0531 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.060376 110.4
[M+Na]+ 93.042318 117.9
[M-H]- 69.045824 109.6
[M+NH4]+ 88.086923 132.8
[M+K]+ 109.01626 117.2
[M+H-H2O]+ 53.050360 104.0
[M+HCOO]- 115.05130 132.0
[M+CH3COO]- 129.06695 155.4
[M+Na-2H]- 91.027766 118.6
[M]+ 70.052551 106.1
[M]- 70.053649 106.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe